4-[3-[2-[5-[2-(3,3-dimethylmorpholin-4-yl)ethylcarbamoyl]-2-fluorophenyl]acetyl]imidazo[1,2-a]pyridin-7-yl]-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide

C35H39F2N5O5 — CID 146731408

IUPAC4-[3-[2-[5-[2-(3,3-dimethylmorpholin-4-yl)ethylcarbamoyl]-2-fluorophenyl]acetyl]imidazo[1,2-a]pyridin-7-yl]-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
SMILESCC(C)(CO)NC(=O)c1ccc(-c2ccn3c(C(=O)Cc4cc(C(=O)NCCN5CCOCC5(C)C)ccc4F)cnc3c2)cc1F
InChIInChI=1S/C35H39F2N5O5/c1-34(2,20-43)40-33(46)26-7-5-22(16-28(26)37)23-9-11-42-29(19-39-31(42)18-23)30(44)17-25-15-24(6-8-27(25)36)32(45)38-10-12-41-13-14-47-21-35(41,3)4/h5-9,11,15-16,18-19,43H,10,12-14,17,20-21H2,1-4H3,(H,38,45)(H,40,46)
InChIKeyRHYQOFIEPVMJFU-UHFFFAOYSA-N
MW647.72 g/mol
LogP4.05
Rot. Bonds11

About 4-[3-[2-[5-[2-(3,3-dimethylmorpholin-4-yl)ethylcarbamoyl]-2-fluorophenyl]acetyl]imidazo[1,2-a]pyridin-7-yl]-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide

4-[3-[2-[5-[2-(3,3-dimethylmorpholin-4-yl)ethylcarbamoyl]-2-fluorophenyl]acetyl]imidazo[1,2-a]pyridin-7-yl]-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide (PubChem CID 146731408) has the molecular formula C35H39F2N5O5 and a molecular weight of 647.72 g/mol. Its IUPAC name is 4-[3-[2-[5-[2-(3,3-dimethylmorpholin-4-yl)ethylcarbamoyl]-2-fluorophenyl]acetyl]imidazo[1,2-a]pyridin-7-yl]-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide.

Molecular Properties

Compound Name4-[3-[2-[5-[2-(3,3-dimethylmorpholin-4-yl)ethylcarbamoyl]-2-fluorophenyl]acetyl]imidazo[1,2-a]pyridin-7-yl]-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
PubChem CID146731408
Molecular FormulaC35H39F2N5O5
Molecular Weight647.72 g/mol
Exact Mass647.29
IUPAC Name4-[3-[2-[5-[2-(3,3-dimethylmorpholin-4-yl)ethylcarbamoyl]-2-fluorophenyl]acetyl]imidazo[1,2-a]pyridin-7-yl]-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
SMILESCC(C)(CO)NC(=O)c1ccc(-c2ccn3c(C(=O)Cc4cc(C(=O)NCCN5CCOCC5(C)C)ccc4F)cnc3c2)cc1F
InChIInChI=1S/C35H39F2N5O5/c1-34(2,20-43)40-33(46)26-7-5-22(16-28(26)37)23-9-11-42-29(19-39-31(42)18-23)30(44)17-25-15-24(6-8-27(25)36)32(45)38-10-12-41-13-14-47-21-35(41,3)4/h5-9,11,15-16,18-19,43H,10,12-14,17,20-21H2,1-4H3,(H,38,45)(H,40,46)
InChIKeyRHYQOFIEPVMJFU-UHFFFAOYSA-N
XLogP4.05
TPSA125.27 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500647.72
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[3-[2-[5-[2-(3,3-dimethylmorpholin-4-yl)ethylcarbamoyl]-2-fluorophenyl]acetyl]imidazo[1,2-a]pyridin-7-yl]-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide with MolForge

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Related Compounds

7-(4-carbamoyl-3-fluorophenyl)-N-[5-[2-(3,3-dimethylmorpholin-4-yl)ethylcarbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 123329306
N-[5-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethylcarbamoyl]-2-fluorophenyl]-7-[3-fluoro-4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71283046
4-fluoro-3-[2-[7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-N-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]benzamide
CID 158765415
N-[5-[2-[tert-butyl(methyl)amino]ethylcarbamoyl]-2-fluorophenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71283528
N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-7-[4-[3-(ethylamino)propylcarbamoyl]-3-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 144540978
N-[5-[2-(2,6-dimethylpiperidin-1-yl)ethylcarbamoyl]-2-fluorophenyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 78051287
N-[5-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethylcarbamoyl]-2-fluorophenyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71291184
methyl 4-[3-[[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]carbamoyl]imidazo[1,2-a]pyridin-7-yl]-2-fluorobenzoate
CID 71283111
N-[5-[(5,5-dimethyloxolan-2-yl)methylcarbamoyl]-2-fluorophenyl]-7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71283168
1-(4-chlorophenyl)-3-(3,3-dimethylmorpholin-4-yl)propan-1-one
CID 62618005
2-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methylpropanamide
CID 119876424
2-fluoro-4-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 154794863

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-[5-[2-(3,3-dimethylmorpholin-4-yl)ethylcarbamoyl]-2-fluorophenyl]acetyl]imidazo[1,2-a]pyridin-7-yl]-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
The IUPAC name of 4-[3-[2-[5-[2-(3,3-dimethylmorpholin-4-yl)ethylcarbamoyl]-2-fluorophenyl]acetyl]imidazo[1,2-a]pyridin-7-yl]-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide (CID 146731408) is 4-[3-[2-[5-[2-(3,3-dimethylmorpholin-4-yl)ethylcarbamoyl]-2-fluorophenyl]acetyl]imidazo[1,2-a]pyridin-7-yl]-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide.
What is the SMILES notation for 4-[3-[2-[5-[2-(3,3-dimethylmorpholin-4-yl)ethylcarbamoyl]-2-fluorophenyl]acetyl]imidazo[1,2-a]pyridin-7-yl]-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
The canonical SMILES for 4-[3-[2-[5-[2-(3,3-dimethylmorpholin-4-yl)ethylcarbamoyl]-2-fluorophenyl]acetyl]imidazo[1,2-a]pyridin-7-yl]-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide is CC(C)(CO)NC(=O)c1ccc(-c2ccn3c(C(=O)Cc4cc(C(=O)NCCN5CCOCC5(C)C)ccc4F)cnc3c2)cc1F.
What is the InChIKey of 4-[3-[2-[5-[2-(3,3-dimethylmorpholin-4-yl)ethylcarbamoyl]-2-fluorophenyl]acetyl]imidazo[1,2-a]pyridin-7-yl]-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
The InChIKey is RHYQOFIEPVMJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39F2N5O5/c1-34(2,20-43)40-33(46)26-7-5-22(16-28(26)37)23-9-11-42-29(19-39-31(42)18-23)30(44)17-25-15-24(6-8-27(25)36)32(45)38-10-12-41-13-14-47-21-35(41,3)4/h5-9,11,15-16,18-19,43H,10,12-14,17,20-21H2,1-4H3,(H,38,45)(H,40,46).
What are the key properties of 4-[3-[2-[5-[2-(3,3-dimethylmorpholin-4-yl)ethylcarbamoyl]-2-fluorophenyl]acetyl]imidazo[1,2-a]pyridin-7-yl]-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
4-[3-[2-[5-[2-(3,3-dimethylmorpholin-4-yl)ethylcarbamoyl]-2-fluorophenyl]acetyl]imidazo[1,2-a]pyridin-7-yl]-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide has a molecular weight of 647.72 g/mol, XLogP of 4.05, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-[5-[2-(3,3-dimethylmorpholin-4-yl)ethylcarbamoyl]-2-fluorophenyl]acetyl]imidazo[1,2-a]pyridin-7-yl]-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide is sourced from PubChem (CID 146731408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).